# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.65353057
_cell_length_b   6.68084480
_cell_length_c   49.43883522
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.24096438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe96 P96'
_cell_volume   5810.73861576
_cell_formula_units_Z   96
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.881252  0.196476  0.282481  1
  Fe  Fe2  1  0.210568  0.132746  0.299742  1
  Fe  Fe3  1  0.533467  0.056472  0.317981  1
  Fe  Fe4  1  0.208767  0.571324  0.296461  1
  Fe  Fe5  1  0.531549  0.500266  0.314541  1
  Fe  Fe6  1  0.851064  0.423876  0.330866  1
  Fe  Fe7  1  0.043504  0.681708  0.291544  1
  Fe  Fe8  1  0.362405  0.596177  0.308408  1
  Fe  Fe9  1  0.688741  0.524428  0.325120  1
  Fe  Fe10  1  0.042853  0.097290  0.286862  1
  Fe  Fe11  1  0.367311  0.036680  0.305341  1
  Fe  Fe12  1  0.693667  0.963390  0.322701  1
  Fe  Fe13  1  0.854621  0.992108  0.333234  1
  Fe  Fe14  1  0.182398  0.925986  0.352938  1
  Fe  Fe15  1  0.506983  0.851061  0.370997  1
  Fe  Fe16  1  0.177592  0.361784  0.347001  1
  Fe  Fe17  1  0.503185  0.287116  0.366196  1
  Fe  Fe18  1  0.828713  0.214938  0.384679  1
  Fe  Fe19  1  0.015202  0.467507  0.342565  1
  Fe  Fe20  1  0.340872  0.388919  0.361642  1
  Fe  Fe21  1  0.663966  0.315954  0.380893  1
  Fe  Fe22  1  0.021718  0.890778  0.338938  1
  Fe  Fe23  1  0.348753  0.821441  0.357597  1
  Fe  Fe24  1  0.672201  0.749173  0.376164  1
  Fe  Fe25  1  0.832692  0.779474  0.389650  1
  Fe  Fe26  1  0.157988  0.709106  0.408230  1
  Fe  Fe27  1  0.483305  0.636543  0.426968  1
  Fe  Fe28  1  0.153763  0.143879  0.403684  1
  Fe  Fe29  1  0.479116  0.072027  0.422239  1
  Fe  Fe30  1  0.804431  0.001040  0.440324  1
  Fe  Fe31  1  0.989153  0.244029  0.398633  1
  Fe  Fe32  1  0.314586  0.174286  0.417380  1
  Fe  Fe33  1  0.639754  0.102610  0.435773  1
  Fe  Fe34  1  0.997082  0.679644  0.394010  1
  Fe  Fe35  1  0.322698  0.606969  0.413162  1
  Fe  Fe36  1  0.647924  0.535684  0.431546  1
  Fe  Fe37  1  0.808508  0.564928  0.445335  1
  Fe  Fe38  1  0.133371  0.493890  0.463717  1
  Fe  Fe39  1  0.458749  0.422133  0.482437  1
  Fe  Fe40  1  0.129229  0.929706  0.458714  1
  Fe  Fe41  1  0.454610  0.857984  0.477449  1
  Fe  Fe42  1  0.779686  0.786233  0.495855  1
  Fe  Fe43  1  0.964726  0.030742  0.454079  1
  Fe  Fe44  1  0.289910  0.959141  0.472771  1
  Fe  Fe45  1  0.615102  0.887279  0.491411  1
  Fe  Fe46  1  0.973030  0.463942  0.449784  1
  Fe  Fe47  1  0.298177  0.392509  0.468490  1
  Fe  Fe48  1  0.623386  0.320802  0.487063  1
  Fe  Fe49  1  0.783821  0.350134  0.500934  1
  Fe  Fe50  1  0.108897  0.278382  0.519340  1
  Fe  Fe51  1  0.434278  0.206661  0.538075  1
  Fe  Fe52  1  0.104758  0.714234  0.514352  1
  Fe  Fe53  1  0.430136  0.642476  0.533072  1
  Fe  Fe54  1  0.754999  0.571439  0.551454  1
  Fe  Fe55  1  0.940121  0.815565  0.509726  1
  Fe  Fe56  1  0.265330  0.743858  0.528299  1
  Fe  Fe57  1  0.590477  0.672425  0.547005  1
  Fe  Fe58  1  0.948405  0.249088  0.505378  1
  Fe  Fe59  1  0.273597  0.177226  0.524018  1
  Fe  Fe60  1  0.598781  0.105625  0.542710  1
  Fe  Fe61  1  0.759076  0.135327  0.556465  1
  Fe  Fe62  1  0.084391  0.064340  0.574550  1
  Fe  Fe63  1  0.409744  0.992488  0.593105  1
  Fe  Fe64  1  0.080202  0.499824  0.569821  1
  Fe  Fe65  1  0.405519  0.427261  0.588559  1
  Fe  Fe66  1  0.730815  0.356893  0.607139  1
  Fe  Fe67  1  0.915582  0.600683  0.565243  1
  Fe  Fe68  1  0.240808  0.529398  0.583627  1
  Fe  Fe69  1  0.566425  0.456723  0.602779  1
  Fe  Fe70  1  0.923753  0.033757  0.561016  1
  Fe  Fe71  1  0.248921  0.962081  0.579409  1
  Fe  Fe72  1  0.574354  0.892338  0.598156  1
  Fe  Fe73  1  0.734794  0.921429  0.612110  1
  Fe  Fe74  1  0.060322  0.849251  0.630593  1
  Fe  Fe75  1  0.385915  0.774582  0.649788  1
  Fe  Fe76  1  0.056524  0.285306  0.625792  1
  Fe  Fe77  1  0.381109  0.210381  0.643851  1
  Fe  Fe78  1  0.708886  0.144258  0.663555  1
  Fe  Fe79  1  0.891305  0.387194  0.620625  1
  Fe  Fe80  1  0.214754  0.314926  0.639192  1
  Fe  Fe81  1  0.541789  0.245589  0.657851  1
  Fe  Fe82  1  0.899541  0.820412  0.615896  1
  Fe  Fe83  1  0.222634  0.747447  0.635147  1
  Fe  Fe84  1  0.548304  0.668860  0.654224  1
  Fe  Fe85  1  0.712443  0.712491  0.665923  1
  Fe  Fe86  1  0.031958  0.636100  0.682248  1
  Fe  Fe87  1  0.354740  0.565043  0.700328  1
  Fe  Fe88  1  0.030040  0.079895  0.678808  1
  Fe  Fe89  1  0.352938  0.003621  0.697047  1
  Fe  Fe90  1  0.682255  0.939891  0.714308  1
  Fe  Fe91  1  0.869840  0.172977  0.674088  1
  Fe  Fe92  1  0.196196  0.099687  0.691448  1
  Fe  Fe93  1  0.520654  0.039077  0.709927  1
  Fe  Fe94  1  0.874766  0.611938  0.671669  1
  Fe  Fe95  1  0.201101  0.540190  0.688381  1
  Fe  Fe96  1  0.520003  0.454659  0.705245  1
  P  P97  1  0.935281  0.690417  0.314563  1
  P  P98  1  0.294468  0.837946  0.277739  1
  P  P99  1  0.616597  0.765293  0.295675  1
  P  P100  1  0.128612  0.883235  0.307021  1
  P  P101  1  0.449504  0.806426  0.324646  1
  P  P102  1  0.790598  0.970566  0.287076  1
  P  P103  1  0.952803  0.192904  0.318552  1
  P  P104  1  0.302308  0.336279  0.278163  1
  P  P105  1  0.623346  0.261951  0.296476  1
  P  P106  1  0.109244  0.383201  0.303425  1
  P  P107  1  0.436256  0.309612  0.323873  1
  P  P108  1  0.788284  0.472128  0.287089  1
  P  P109  1  0.914920  0.475344  0.372881  1
  P  P110  1  0.264784  0.618629  0.337119  1
  P  P111  1  0.590132  0.545547  0.355011  1
  P  P112  1  0.097660  0.666569  0.363831  1
  P  P113  1  0.423016  0.594465  0.382404  1
  P  P114  1  0.772084  0.735521  0.345104  1
  P  P115  1  0.925673  0.970594  0.373299  1
  P  P116  1  0.277185  0.116473  0.337870  1
  P  P117  1  0.601135  0.042086  0.355945  1
  P  P118  1  0.085810  0.171009  0.362798  1
  P  P119  1  0.411278  0.097156  0.381831  1
  P  P120  1  0.757604  0.238582  0.344634  1
  P  P121  1  0.889802  0.259683  0.428716  1
  P  P122  1  0.239412  0.403036  0.391926  1
  P  P123  1  0.564264  0.330964  0.410504  1
  P  P124  1  0.072404  0.450311  0.419344  1
  P  P125  1  0.397790  0.378667  0.438170  1
  P  P126  1  0.747739  0.521693  0.401140  1
  P  P127  1  0.901555  0.756984  0.429416  1
  P  P128  1  0.251498  0.901062  0.392692  1
  P  P129  1  0.576243  0.828677  0.411208  1
  P  P130  1  0.060452  0.952499  0.418659  1
  P  P131  1  0.386037  0.880952  0.437502  1
  P  P132  1  0.736134  0.023748  0.400535  1
  P  P133  1  0.865262  0.044711  0.484442  1
  P  P134  1  0.214817  0.188272  0.447582  1
  P  P135  1  0.540267  0.116453  0.466185  1
  P  P136  1  0.047949  0.235123  0.475069  1
  P  P137  1  0.373275  0.163537  0.493772  1
  P  P138  1  0.723007  0.306688  0.456770  1
  P  P139  1  0.876930  0.542049  0.485100  1
  P  P140  1  0.226491  0.685553  0.448177  1
  P  P141  1  0.551923  0.613618  0.466797  1
  P  P142  1  0.036228  0.737728  0.474378  1
  P  P143  1  0.361477  0.665986  0.493093  1
  P  P144  1  0.711167  0.809291  0.456051  1
  P  P145  1  0.840500  0.829678  0.540019  1
  P  P146  1  0.190231  0.972830  0.503017  1
  P  P147  1  0.515558  0.901244  0.521720  1
  P  P148  1  0.023240  0.019914  0.530604  1
  P  P149  1  0.348690  0.948095  0.549207  1
  P  P150  1  0.698244  0.091656  0.512347  1
  P  P151  1  0.852340  0.327076  0.540738  1
  P  P152  1  0.202029  0.470381  0.503697  1
  P  P153  1  0.527279  0.398639  0.522411  1
  P  P154  1  0.011584  0.522749  0.529992  1
  P  P155  1  0.337015  0.450814  0.548612  1
  P  P156  1  0.686577  0.594318  0.511689  1
  P  P157  1  0.815767  0.614674  0.595649  1
  P  P158  1  0.165717  0.757700  0.558619  1
  P  P159  1  0.491103  0.686056  0.577445  1
  P  P160  1  0.999243  0.805403  0.586285  1
  P  P161  1  0.324095  0.733331  0.604863  1
  P  P162  1  0.673705  0.876684  0.568073  1
  P  P163  1  0.827373  0.112619  0.596254  1
  P  P164  1  0.177470  0.255414  0.559287  1
  P  P165  1  0.503055  0.183868  0.578130  1
  P  P166  1  0.987264  0.307690  0.585581  1
  P  P167  1  0.312008  0.235304  0.604097  1
  P  P168  1  0.661951  0.379383  0.567373  1
  P  P169  1  0.791423  0.400846  0.651685  1
  P  P170  1  0.140490  0.541902  0.614385  1
  P  P171  1  0.465847  0.469798  0.632958  1
  P  P172  1  0.973375  0.590820  0.641778  1
  P  P173  1  0.298722  0.517737  0.659670  1
  P  P174  1  0.648586  0.661023  0.623908  1
  P  P175  1  0.805903  0.897785  0.652155  1
  P  P176  1  0.152229  0.039211  0.614958  1
  P  P177  1  0.477697  0.965358  0.633991  1
  P  P178  1  0.962372  0.094281  0.640844  1
  P  P179  1  0.286322  0.019894  0.658919  1
  P  P180  1  0.637834  0.165773  0.623490  1
  P  P181  1  0.772908  0.165801  0.709713  1
  P  P182  1  0.114002  0.329940  0.672143  1
  P  P183  1  0.434894  0.253132  0.689768  1
  P  P184  1  0.946910  0.371074  0.701114  1
  P  P185  1  0.269039  0.298420  0.719050  1
  P  P186  1  0.628226  0.445950  0.682226  1
  P  P187  1  0.775223  0.664239  0.709700  1
  P  P188  1  0.127251  0.826755  0.672916  1
  P  P189  1  0.454263  0.753165  0.693364  1
  P  P190  1  0.940161  0.874416  0.700313  1
  P  P191  1  0.261199  0.800088  0.718626  1
  P  P192  1  0.610704  0.943463  0.678237  1
